PyParaTools is a Python based software package for analysing Pseudocontact Shift, Paramagnetic Relaxation Enhancement and Residual Dipolar Coupling Data. Such data is readily acquired from paramagnetic Nuclear Magnetic Resonance experiments and provides rich, long-range, distance and, or, orientational structural restraints.
The major components of the PyParaTools package are data parsers, paramagnetic effect calcers, parameter optimizers, and analysis methods to aid investigation of data and results. For more information please refer to the documentation.
The PyParaTools package has been developed by Mitchell Stanton-Cook a PhD student in Dr Thomas Huber’s Biomolecular Modeling Group at the Australian National University.
PyParaTools is licensed under the Educational Community License Version 2.0 and is freely available to users working in academic non-profit organizations (including universities, government entities and academic institutions) whom are using the software for research or educational purposes.
If PyParaTools aids your work in a useful manner, please cite it in resultant publication(s) in the following way: M. Stanton-Cook, X.-C. Su, G. Otting, T. Huber, http://compbio.anu.edu.au/mscook/PPT/